1-ethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-(3-pyrrolidinosulfonylphenyl)benzotriazole-5-carboxamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)N=N1

InChI

InChI=1S/C19H21N5O3S/c1-2-24-18-9-8-14(12-17(18)21-22-24)19(25)20-15-6-5-7-16(13-15)28(26,27)23-10-3-4-11-23/h5-9,12-13H,2-4,10-11H2,1H3,(H,20,25)